USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 ASN : amide:sc= -0.778 K(o=-1.2,f=-3) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -162:sc= -0.461 (180deg=0.0326) USER MOD Single : A 26 ASN : amide:sc= -0.042 X(o=-0.042,f=-0.038) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0539 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.036 K(o=-0.036,f=-1.6!) USER MOD Single : A 61 SER OG : rot 124:sc= 0.508 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -61:sc= 0.695 USER MOD Single : A 71 THR OG1 : rot 148:sc= 1.18 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -53:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 88 HIS : no HD1:sc= -5.99! C(o=-6!,f=-14!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -2.37 F(o=-4.4!,f=-2.4) USER MOD Single : A 100 ASN : amide:sc= -2.18! C(o=-2.2!,f=-3!) USER MOD Single : A 107 GLN :FLIP amide:sc= -1.76 F(o=-2.7!,f=-1.8) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 166 N GLY A 14 -7.824 -13.485 -6.054 1.00 0.00 N ATOM 167 CA GLY A 14 -8.257 -13.429 -7.438 1.00 0.00 C ATOM 168 C GLY A 14 -7.331 -12.596 -8.302 1.00 0.00 C ATOM 169 O GLY A 14 -6.164 -12.383 -7.972 1.00 0.00 O ATOM 0 HA2 GLY A 14 -8.311 -14.441 -7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.264 -13.013 -7.484 1.00 0.00 H new ATOM 173 N PRO A 15 -7.853 -12.111 -9.438 1.00 0.00 N ATOM 174 CA PRO A 15 -7.082 -11.291 -10.377 1.00 0.00 C ATOM 175 C PRO A 15 -6.768 -9.908 -9.815 1.00 0.00 C ATOM 176 O PRO A 15 -7.420 -9.425 -8.889 1.00 0.00 O ATOM 177 CB PRO A 15 -8.006 -11.177 -11.592 1.00 0.00 C ATOM 178 CG PRO A 15 -9.378 -11.366 -11.043 1.00 0.00 C ATOM 179 CD PRO A 15 -9.237 -12.326 -9.894 1.00 0.00 C ATOM 0 HA PRO A 15 -6.112 -11.734 -10.603 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.904 -10.206 -12.077 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.771 -11.934 -12.340 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.799 -10.417 -10.709 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.051 -11.763 -11.803 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -9.958 -12.116 -9.104 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.401 -13.357 -10.209 1.00 0.00 H new ATOM 187 N PRO A 16 -5.747 -9.254 -10.388 1.00 0.00 N ATOM 188 CA PRO A 16 -5.325 -7.917 -9.961 1.00 0.00 C ATOM 189 C PRO A 16 -6.345 -6.843 -10.324 1.00 0.00 C ATOM 190 O PRO A 16 -7.154 -7.025 -11.234 1.00 0.00 O ATOM 191 CB PRO A 16 -4.019 -7.695 -10.728 1.00 0.00 C ATOM 192 CG PRO A 16 -4.133 -8.567 -11.930 1.00 0.00 C ATOM 193 CD PRO A 16 -4.926 -9.769 -11.496 1.00 0.00 C ATOM 0 HA PRO A 16 -5.216 -7.851 -8.878 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.897 -6.649 -11.008 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.154 -7.966 -10.123 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.632 -8.044 -12.746 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.148 -8.860 -12.294 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.543 -10.157 -12.306 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.277 -10.582 -11.171 1.00 0.00 H new ATOM 201 N ARG A 17 -6.300 -5.724 -9.608 1.00 0.00 N ATOM 202 CA ARG A 17 -7.221 -4.621 -9.856 1.00 0.00 C ATOM 203 C ARG A 17 -6.473 -3.293 -9.927 1.00 0.00 C ATOM 204 O ARG A 17 -5.848 -2.869 -8.954 1.00 0.00 O ATOM 205 CB ARG A 17 -8.285 -4.561 -8.758 1.00 0.00 C ATOM 206 CG ARG A 17 -7.756 -4.913 -7.377 1.00 0.00 C ATOM 207 CD ARG A 17 -8.832 -4.762 -6.314 1.00 0.00 C ATOM 208 NE ARG A 17 -9.935 -5.698 -6.515 1.00 0.00 N ATOM 209 CZ ARG A 17 -11.011 -5.745 -5.736 1.00 0.00 C ATOM 210 NH1 ARG A 17 -11.127 -4.913 -4.711 1.00 0.00 N ATOM 211 NH2 ARG A 17 -11.973 -6.625 -5.984 1.00 0.00 N ATOM 0 H ARG A 17 -5.636 -5.557 -8.852 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.708 -4.796 -10.816 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.710 -3.558 -8.730 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.096 -5.244 -9.012 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.386 -5.938 -7.378 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.911 -4.269 -7.135 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.394 -4.924 -5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.215 -3.742 -6.328 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.876 -6.351 -7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.390 -4.235 -4.519 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.954 -4.951 -4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.887 -7.266 -6.773 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.798 -6.660 -5.386 1.00 0.00 H new ATOM 225 N ILE A 18 -6.541 -2.643 -11.083 1.00 0.00 N ATOM 226 CA ILE A 18 -5.871 -1.364 -11.280 1.00 0.00 C ATOM 227 C ILE A 18 -6.786 -0.201 -10.913 1.00 0.00 C ATOM 228 O ILE A 18 -7.942 -0.150 -11.333 1.00 0.00 O ATOM 229 CB ILE A 18 -5.402 -1.192 -12.737 1.00 0.00 C ATOM 230 CG1 ILE A 18 -4.125 -1.999 -12.983 1.00 0.00 C ATOM 231 CG2 ILE A 18 -5.174 0.279 -13.051 1.00 0.00 C ATOM 232 CD1 ILE A 18 -3.617 -1.908 -14.405 1.00 0.00 C ATOM 0 H ILE A 18 -7.053 -2.981 -11.898 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.001 -1.360 -10.623 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.181 -1.568 -13.400 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.347 -1.648 -12.305 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.313 -3.045 -12.739 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.843 0.383 -14.084 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.104 0.829 -12.911 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.411 0.680 -12.383 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.710 -2.504 -14.506 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.378 -2.286 -15.088 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.397 -0.868 -14.647 1.00 0.00 H new ATOM 244 N VAL A 19 -6.261 0.733 -10.127 1.00 0.00 N ATOM 245 CA VAL A 19 -7.029 1.898 -9.704 1.00 0.00 C ATOM 246 C VAL A 19 -6.166 3.155 -9.701 1.00 0.00 C ATOM 247 O VAL A 19 -5.081 3.172 -9.121 1.00 0.00 O ATOM 248 CB VAL A 19 -7.628 1.696 -8.300 1.00 0.00 C ATOM 249 CG1 VAL A 19 -8.484 2.891 -7.907 1.00 0.00 C ATOM 250 CG2 VAL A 19 -8.438 0.409 -8.246 1.00 0.00 C ATOM 0 H VAL A 19 -5.306 0.706 -9.770 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.840 2.020 -10.422 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.810 1.614 -7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.899 2.730 -6.912 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.871 3.792 -7.903 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.297 3.008 -8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.854 0.282 -7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.249 0.459 -8.973 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.792 -0.437 -8.480 1.00 0.00 H new ATOM 260 N GLU A 20 -6.656 4.205 -10.353 1.00 0.00 N ATOM 261 CA GLU A 20 -5.928 5.466 -10.425 1.00 0.00 C ATOM 262 C GLU A 20 -6.284 6.368 -9.246 1.00 0.00 C ATOM 263 O GLU A 20 -7.457 6.651 -9.001 1.00 0.00 O ATOM 264 CB GLU A 20 -6.235 6.183 -11.741 1.00 0.00 C ATOM 265 CG GLU A 20 -5.555 5.558 -12.947 1.00 0.00 C ATOM 266 CD GLU A 20 -6.442 4.559 -13.664 1.00 0.00 C ATOM 267 OE1 GLU A 20 -7.301 3.944 -12.998 1.00 0.00 O ATOM 268 OE2 GLU A 20 -6.278 4.391 -14.891 1.00 0.00 O ATOM 0 H GLU A 20 -7.553 4.207 -10.838 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.862 5.244 -10.381 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.313 6.183 -11.902 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.925 7.225 -11.659 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.263 6.344 -13.643 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.640 5.061 -12.626 1.00 0.00 H new ATOM 275 N ILE A 21 -5.265 6.815 -8.521 1.00 0.00 N ATOM 276 CA ILE A 21 -5.470 7.684 -7.370 1.00 0.00 C ATOM 277 C ILE A 21 -4.730 9.007 -7.541 1.00 0.00 C ATOM 278 O ILE A 21 -3.505 9.065 -7.428 1.00 0.00 O ATOM 279 CB ILE A 21 -5.001 7.012 -6.066 1.00 0.00 C ATOM 280 CG1 ILE A 21 -5.379 5.529 -6.067 1.00 0.00 C ATOM 281 CG2 ILE A 21 -5.604 7.717 -4.860 1.00 0.00 C ATOM 282 CD1 ILE A 21 -4.900 4.783 -4.841 1.00 0.00 C ATOM 0 H ILE A 21 -4.288 6.589 -8.711 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.541 7.875 -7.306 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.916 7.091 -6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.463 5.439 -6.137 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.962 5.056 -6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.263 7.230 -3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.290 8.761 -4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.691 7.665 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.203 3.738 -4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.813 4.842 -4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.338 5.230 -3.949 1.00 0.00 H new ATOM 294 N PHE A 22 -5.482 10.068 -7.812 1.00 0.00 N ATOM 295 CA PHE A 22 -4.898 11.392 -7.998 1.00 0.00 C ATOM 296 C PHE A 22 -4.408 11.961 -6.670 1.00 0.00 C ATOM 297 O PHE A 22 -5.161 12.038 -5.699 1.00 0.00 O ATOM 298 CB PHE A 22 -5.921 12.340 -8.626 1.00 0.00 C ATOM 299 CG PHE A 22 -5.711 12.560 -10.097 1.00 0.00 C ATOM 300 CD1 PHE A 22 -5.988 11.554 -11.008 1.00 0.00 C ATOM 301 CD2 PHE A 22 -5.235 13.773 -10.568 1.00 0.00 C ATOM 302 CE1 PHE A 22 -5.795 11.753 -12.362 1.00 0.00 C ATOM 303 CE2 PHE A 22 -5.040 13.979 -11.921 1.00 0.00 C ATOM 304 CZ PHE A 22 -5.321 12.968 -12.819 1.00 0.00 C ATOM 0 H PHE A 22 -6.497 10.038 -7.908 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.044 11.295 -8.669 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.922 11.939 -8.466 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.877 13.301 -8.113 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.359 10.603 -10.656 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.014 14.567 -9.870 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.014 10.960 -13.062 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.668 14.929 -12.275 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.171 13.127 -13.877 1.00 0.00 H new ATOM 314 N ARG A 23 -3.140 12.359 -6.635 1.00 0.00 N ATOM 315 CA ARG A 23 -2.548 12.920 -5.427 1.00 0.00 C ATOM 316 C ARG A 23 -3.356 14.116 -4.930 1.00 0.00 C ATOM 317 O ARG A 23 -4.153 14.689 -5.672 1.00 0.00 O ATOM 318 CB ARG A 23 -1.102 13.342 -5.690 1.00 0.00 C ATOM 319 CG ARG A 23 -0.274 12.275 -6.388 1.00 0.00 C ATOM 320 CD ARG A 23 0.638 11.550 -5.411 1.00 0.00 C ATOM 321 NE ARG A 23 1.316 12.473 -4.506 1.00 0.00 N ATOM 322 CZ ARG A 23 2.449 13.098 -4.807 1.00 0.00 C ATOM 323 NH1 ARG A 23 3.028 12.899 -5.983 1.00 0.00 N ATOM 324 NH2 ARG A 23 3.006 13.924 -3.930 1.00 0.00 N ATOM 0 H ARG A 23 -2.503 12.303 -7.430 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.560 12.150 -4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.101 14.246 -6.298 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.628 13.595 -4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.937 11.557 -6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.325 12.734 -7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.053 10.837 -4.830 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.380 10.976 -5.966 1.00 0.00 H new ATOM 0 HE ARG A 23 0.897 12.648 -3.593 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.604 12.265 -6.660 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.898 13.380 -6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.564 14.079 -3.024 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.876 14.403 -4.162 1.00 0.00 H new ATOM 338 N GLU A 24 -3.143 14.485 -3.671 1.00 0.00 N ATOM 339 CA GLU A 24 -3.853 15.611 -3.076 1.00 0.00 C ATOM 340 C GLU A 24 -2.872 16.658 -2.554 1.00 0.00 C ATOM 341 O GLU A 24 -1.747 16.349 -2.161 1.00 0.00 O ATOM 342 CB GLU A 24 -4.756 15.131 -1.938 1.00 0.00 C ATOM 343 CG GLU A 24 -6.165 14.780 -2.386 1.00 0.00 C ATOM 344 CD GLU A 24 -6.811 15.885 -3.198 1.00 0.00 C ATOM 345 OE1 GLU A 24 -7.441 16.776 -2.590 1.00 0.00 O ATOM 346 OE2 GLU A 24 -6.687 15.860 -4.440 1.00 0.00 O ATOM 0 H GLU A 24 -2.485 14.021 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.469 16.068 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.304 14.256 -1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.809 15.908 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.136 13.867 -2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.779 14.571 -1.510 1.00 0.00 H new ATOM 353 N PRO A 25 -3.307 17.927 -2.552 1.00 0.00 N ATOM 354 CA PRO A 25 -2.484 19.045 -2.081 1.00 0.00 C ATOM 355 C PRO A 25 -2.270 19.012 -0.572 1.00 0.00 C ATOM 356 O PRO A 25 -1.319 18.402 -0.084 1.00 0.00 O ATOM 357 CB PRO A 25 -3.300 20.277 -2.479 1.00 0.00 C ATOM 358 CG PRO A 25 -4.708 19.795 -2.542 1.00 0.00 C ATOM 359 CD PRO A 25 -4.637 18.367 -3.007 1.00 0.00 C ATOM 0 HA PRO A 25 -1.482 19.023 -2.510 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.188 21.079 -1.749 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.974 20.674 -3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.188 19.864 -1.566 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.297 20.401 -3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.432 17.762 -2.570 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.737 18.291 -4.090 1.00 0.00 H new ATOM 367 N ASN A 26 -3.159 19.672 0.162 1.00 0.00 N ATOM 368 CA ASN A 26 -3.067 19.718 1.617 1.00 0.00 C ATOM 369 C ASN A 26 -2.941 18.313 2.199 1.00 0.00 C ATOM 370 O ASN A 26 -2.283 18.108 3.219 1.00 0.00 O ATOM 371 CB ASN A 26 -4.293 20.418 2.205 1.00 0.00 C ATOM 372 CG ASN A 26 -4.466 21.827 1.672 1.00 0.00 C ATOM 373 OD1 ASN A 26 -3.757 22.747 2.079 1.00 0.00 O ATOM 374 ND2 ASN A 26 -5.412 22.002 0.757 1.00 0.00 N ATOM 0 H ASN A 26 -3.952 20.183 -0.227 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.173 20.283 1.882 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.185 19.834 1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.203 20.452 3.291 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.574 22.928 0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.976 21.210 0.449 1.00 0.00 H new ATOM 381 N VAL A 27 -3.576 17.347 1.542 1.00 0.00 N ATOM 382 CA VAL A 27 -3.534 15.961 1.992 1.00 0.00 C ATOM 383 C VAL A 27 -2.868 15.066 0.954 1.00 0.00 C ATOM 384 O VAL A 27 -2.813 15.404 -0.229 1.00 0.00 O ATOM 385 CB VAL A 27 -4.947 15.424 2.287 1.00 0.00 C ATOM 386 CG1 VAL A 27 -5.690 15.135 0.991 1.00 0.00 C ATOM 387 CG2 VAL A 27 -4.873 14.179 3.157 1.00 0.00 C ATOM 0 H VAL A 27 -4.126 17.499 0.696 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.948 15.944 2.911 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.500 16.188 2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.686 14.756 1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.775 16.052 0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.142 14.389 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.880 13.813 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.302 13.407 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.383 14.423 4.100 1.00 0.00 H new ATOM 397 N SER A 28 -2.363 13.921 1.403 1.00 0.00 N ATOM 398 CA SER A 28 -1.697 12.978 0.513 1.00 0.00 C ATOM 399 C SER A 28 -2.699 11.993 -0.082 1.00 0.00 C ATOM 400 O SER A 28 -3.909 12.216 -0.035 1.00 0.00 O ATOM 401 CB SER A 28 -0.604 12.218 1.267 1.00 0.00 C ATOM 402 OG SER A 28 0.448 11.840 0.396 1.00 0.00 O ATOM 0 H SER A 28 -2.403 13.624 2.378 1.00 0.00 H new ATOM 0 HA SER A 28 -1.242 13.543 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.210 12.842 2.069 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.030 11.330 1.734 1.00 0.00 H new ATOM 0 HG SER A 28 1.134 11.357 0.902 1.00 0.00 H new ATOM 408 N LEU A 29 -2.186 10.903 -0.641 1.00 0.00 N ATOM 409 CA LEU A 29 -3.034 9.882 -1.247 1.00 0.00 C ATOM 410 C LEU A 29 -4.024 9.323 -0.229 1.00 0.00 C ATOM 411 O LEU A 29 -5.134 8.926 -0.581 1.00 0.00 O ATOM 412 CB LEU A 29 -2.177 8.750 -1.816 1.00 0.00 C ATOM 413 CG LEU A 29 -1.865 8.831 -3.311 1.00 0.00 C ATOM 414 CD1 LEU A 29 -1.280 7.517 -3.806 1.00 0.00 C ATOM 415 CD2 LEU A 29 -3.118 9.189 -4.098 1.00 0.00 C ATOM 0 H LEU A 29 -1.187 10.703 -0.687 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.596 10.346 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.234 8.725 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.684 7.805 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.125 9.616 -3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.064 7.593 -4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.359 7.302 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.997 6.713 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.878 9.242 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.880 8.426 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.495 10.155 -3.762 1.00 0.00 H new ATOM 427 N GLY A 30 -3.613 9.296 1.035 1.00 0.00 N ATOM 428 CA GLY A 30 -4.476 8.786 2.084 1.00 0.00 C ATOM 429 C GLY A 30 -4.357 7.284 2.255 1.00 0.00 C ATOM 430 O GLY A 30 -5.198 6.657 2.900 1.00 0.00 O ATOM 0 H GLY A 30 -2.698 9.618 1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.227 9.276 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.511 9.042 1.855 1.00 0.00 H new ATOM 434 N ILE A 31 -3.310 6.706 1.674 1.00 0.00 N ATOM 435 CA ILE A 31 -3.085 5.269 1.765 1.00 0.00 C ATOM 436 C ILE A 31 -1.837 4.959 2.585 1.00 0.00 C ATOM 437 O ILE A 31 -0.890 5.744 2.614 1.00 0.00 O ATOM 438 CB ILE A 31 -2.940 4.633 0.370 1.00 0.00 C ATOM 439 CG1 ILE A 31 -4.018 5.169 -0.574 1.00 0.00 C ATOM 440 CG2 ILE A 31 -3.020 3.117 0.468 1.00 0.00 C ATOM 441 CD1 ILE A 31 -3.795 4.793 -2.022 1.00 0.00 C ATOM 0 H ILE A 31 -2.605 7.211 1.136 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.958 4.843 2.261 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.964 4.900 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.989 4.792 -0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.055 6.255 -0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.916 2.682 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.219 2.751 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.983 2.830 0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.597 5.207 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.839 5.194 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.788 3.707 -2.119 1.00 0.00 H new ATOM 453 N SER A 32 -1.843 3.807 3.249 1.00 0.00 N ATOM 454 CA SER A 32 -0.712 3.394 4.071 1.00 0.00 C ATOM 455 C SER A 32 -0.322 1.950 3.772 1.00 0.00 C ATOM 456 O SER A 32 -1.004 1.255 3.018 1.00 0.00 O ATOM 457 CB SER A 32 -1.052 3.544 5.556 1.00 0.00 C ATOM 458 OG SER A 32 -1.268 4.904 5.894 1.00 0.00 O ATOM 0 H SER A 32 -2.618 3.144 3.234 1.00 0.00 H new ATOM 0 HA SER A 32 0.134 4.038 3.831 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.944 2.962 5.789 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.240 3.140 6.161 1.00 0.00 H new ATOM 0 HG SER A 32 -1.485 4.974 6.847 1.00 0.00 H new ATOM 464 N ILE A 33 0.780 1.505 4.367 1.00 0.00 N ATOM 465 CA ILE A 33 1.261 0.144 4.165 1.00 0.00 C ATOM 466 C ILE A 33 1.873 -0.418 5.443 1.00 0.00 C ATOM 467 O ILE A 33 2.417 0.324 6.262 1.00 0.00 O ATOM 468 CB ILE A 33 2.306 0.078 3.036 1.00 0.00 C ATOM 469 CG1 ILE A 33 3.411 1.109 3.274 1.00 0.00 C ATOM 470 CG2 ILE A 33 1.642 0.307 1.686 1.00 0.00 C ATOM 471 CD1 ILE A 33 4.610 0.929 2.369 1.00 0.00 C ATOM 0 H ILE A 33 1.356 2.067 4.993 1.00 0.00 H new ATOM 0 HA ILE A 33 0.397 -0.458 3.884 1.00 0.00 H new ATOM 0 HB ILE A 33 2.756 -0.915 3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.002 2.109 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.737 1.047 4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.393 0.257 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.887 -0.461 1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.169 1.289 1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.353 1.694 2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.044 -0.057 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.298 1.020 1.329 1.00 0.00 H new ATOM 483 N VAL A 34 1.784 -1.734 5.607 1.00 0.00 N ATOM 484 CA VAL A 34 2.332 -2.396 6.785 1.00 0.00 C ATOM 485 C VAL A 34 3.639 -3.109 6.455 1.00 0.00 C ATOM 486 O VAL A 34 4.073 -3.132 5.304 1.00 0.00 O ATOM 487 CB VAL A 34 1.337 -3.417 7.369 1.00 0.00 C ATOM 488 CG1 VAL A 34 -0.095 -2.983 7.095 1.00 0.00 C ATOM 489 CG2 VAL A 34 1.601 -4.803 6.801 1.00 0.00 C ATOM 0 H VAL A 34 1.338 -2.363 4.939 1.00 0.00 H new ATOM 0 HA VAL A 34 2.521 -1.619 7.526 1.00 0.00 H new ATOM 0 HB VAL A 34 1.478 -3.460 8.449 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.784 -3.716 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.275 -2.011 7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.254 -2.910 6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.889 -5.511 7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.488 -4.779 5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.615 -5.113 7.054 1.00 0.00 H new ATOM 499 N GLY A 35 4.263 -3.691 7.475 1.00 0.00 N ATOM 500 CA GLY A 35 5.515 -4.397 7.274 1.00 0.00 C ATOM 501 C GLY A 35 6.373 -3.761 6.198 1.00 0.00 C ATOM 502 O GLY A 35 6.660 -2.566 6.250 1.00 0.00 O ATOM 0 H GLY A 35 3.924 -3.686 8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.071 -4.419 8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.306 -5.432 7.003 1.00 0.00 H new ATOM 765 N ILE A 52 4.202 -6.227 -0.024 1.00 0.00 N ATOM 766 CA ILE A 52 3.639 -5.018 0.566 1.00 0.00 C ATOM 767 C ILE A 52 2.119 -5.105 0.653 1.00 0.00 C ATOM 768 O ILE A 52 1.453 -5.493 -0.307 1.00 0.00 O ATOM 769 CB ILE A 52 4.025 -3.765 -0.242 1.00 0.00 C ATOM 770 CG1 ILE A 52 5.547 -3.638 -0.332 1.00 0.00 C ATOM 771 CG2 ILE A 52 3.421 -2.520 0.390 1.00 0.00 C ATOM 772 CD1 ILE A 52 6.244 -3.768 1.004 1.00 0.00 C ATOM 0 HA ILE A 52 4.054 -4.935 1.571 1.00 0.00 H new ATOM 0 HB ILE A 52 3.627 -3.866 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.928 -4.404 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.798 -2.672 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.703 -1.643 -0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.335 -2.611 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.792 -2.413 1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.320 -3.668 0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.891 -2.986 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.024 -4.744 1.436 1.00 0.00 H new ATOM 784 N PHE A 53 1.577 -4.740 1.810 1.00 0.00 N ATOM 785 CA PHE A 53 0.134 -4.776 2.023 1.00 0.00 C ATOM 786 C PHE A 53 -0.359 -3.464 2.626 1.00 0.00 C ATOM 787 O PHE A 53 0.306 -2.872 3.477 1.00 0.00 O ATOM 788 CB PHE A 53 -0.239 -5.944 2.938 1.00 0.00 C ATOM 789 CG PHE A 53 0.207 -7.280 2.417 1.00 0.00 C ATOM 790 CD1 PHE A 53 1.511 -7.711 2.602 1.00 0.00 C ATOM 791 CD2 PHE A 53 -0.678 -8.105 1.742 1.00 0.00 C ATOM 792 CE1 PHE A 53 1.923 -8.940 2.122 1.00 0.00 C ATOM 793 CE2 PHE A 53 -0.271 -9.336 1.260 1.00 0.00 C ATOM 794 CZ PHE A 53 1.031 -9.754 1.452 1.00 0.00 C ATOM 0 H PHE A 53 2.114 -4.416 2.614 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.348 -4.914 1.055 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.203 -5.780 3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.321 -5.958 3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.213 -7.080 3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.698 -7.783 1.590 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.943 -9.264 2.271 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.970 -9.969 0.734 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.351 -10.716 1.079 1.00 0.00 H new ATOM 804 N ILE A 54 -1.527 -3.017 2.180 1.00 0.00 N ATOM 805 CA ILE A 54 -2.110 -1.776 2.675 1.00 0.00 C ATOM 806 C ILE A 54 -2.246 -1.801 4.194 1.00 0.00 C ATOM 807 O ILE A 54 -2.625 -2.817 4.778 1.00 0.00 O ATOM 808 CB ILE A 54 -3.494 -1.515 2.051 1.00 0.00 C ATOM 809 CG1 ILE A 54 -3.386 -1.455 0.526 1.00 0.00 C ATOM 810 CG2 ILE A 54 -4.086 -0.224 2.597 1.00 0.00 C ATOM 811 CD1 ILE A 54 -4.591 -0.828 -0.140 1.00 0.00 C ATOM 0 H ILE A 54 -2.089 -3.496 1.476 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.433 -0.972 2.386 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.158 -2.337 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.495 -0.889 0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.252 -2.465 0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.064 -0.053 2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.193 -0.302 3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.426 0.609 2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.446 -0.818 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.482 -1.407 0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.714 0.194 0.219 1.00 0.00 H new ATOM 823 N LYS A 55 -1.937 -0.676 4.829 1.00 0.00 N ATOM 824 CA LYS A 55 -2.027 -0.566 6.280 1.00 0.00 C ATOM 825 C LYS A 55 -3.343 0.083 6.696 1.00 0.00 C ATOM 826 O LYS A 55 -4.033 -0.408 7.589 1.00 0.00 O ATOM 827 CB LYS A 55 -0.851 0.247 6.825 1.00 0.00 C ATOM 828 CG LYS A 55 -1.100 0.826 8.207 1.00 0.00 C ATOM 829 CD LYS A 55 -1.504 -0.252 9.199 1.00 0.00 C ATOM 830 CE LYS A 55 -2.303 0.327 10.356 1.00 0.00 C ATOM 831 NZ LYS A 55 -1.422 0.787 11.464 1.00 0.00 N ATOM 0 H LYS A 55 -1.622 0.174 4.361 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.990 -1.572 6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.034 -0.389 6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.631 1.061 6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.199 1.327 8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.884 1.582 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.097 -1.012 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.612 -0.747 9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.904 1.163 9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.996 -0.426 10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.005 1.175 12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.866 -0.016 11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.778 1.524 11.112 1.00 0.00 H new ATOM 845 N GLN A 56 -3.686 1.188 6.041 1.00 0.00 N ATOM 846 CA GLN A 56 -4.920 1.903 6.343 1.00 0.00 C ATOM 847 C GLN A 56 -5.193 2.982 5.300 1.00 0.00 C ATOM 848 O GLN A 56 -4.267 3.541 4.713 1.00 0.00 O ATOM 849 CB GLN A 56 -4.842 2.531 7.735 1.00 0.00 C ATOM 850 CG GLN A 56 -5.374 3.955 7.791 1.00 0.00 C ATOM 851 CD GLN A 56 -5.652 4.419 9.207 1.00 0.00 C ATOM 852 OE1 GLN A 56 -5.705 3.614 10.138 1.00 0.00 O ATOM 853 NE2 GLN A 56 -5.830 5.723 9.379 1.00 0.00 N ATOM 0 H GLN A 56 -3.127 1.607 5.298 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.741 1.186 6.321 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.405 1.914 8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.804 2.526 8.069 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.652 4.627 7.328 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.291 4.020 7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.778 6.355 8.580 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.019 6.093 10.310 1.00 0.00 H new ATOM 862 N VAL A 57 -6.471 3.269 5.074 1.00 0.00 N ATOM 863 CA VAL A 57 -6.866 4.282 4.102 1.00 0.00 C ATOM 864 C VAL A 57 -7.851 5.274 4.711 1.00 0.00 C ATOM 865 O VAL A 57 -8.887 4.884 5.253 1.00 0.00 O ATOM 866 CB VAL A 57 -7.504 3.643 2.854 1.00 0.00 C ATOM 867 CG1 VAL A 57 -8.389 4.648 2.132 1.00 0.00 C ATOM 868 CG2 VAL A 57 -6.429 3.103 1.924 1.00 0.00 C ATOM 0 H VAL A 57 -7.250 2.815 5.550 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.959 4.810 3.808 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.129 2.809 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.831 4.178 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.181 4.982 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.790 5.504 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.897 2.655 1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.777 3.918 1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.841 2.348 2.447 1.00 0.00 H new ATOM 878 N LEU A 58 -7.522 6.557 4.619 1.00 0.00 N ATOM 879 CA LEU A 58 -8.378 7.607 5.161 1.00 0.00 C ATOM 880 C LEU A 58 -9.664 7.734 4.350 1.00 0.00 C ATOM 881 O LEU A 58 -9.826 7.080 3.321 1.00 0.00 O ATOM 882 CB LEU A 58 -7.634 8.944 5.172 1.00 0.00 C ATOM 883 CG LEU A 58 -6.377 9.005 6.040 1.00 0.00 C ATOM 884 CD1 LEU A 58 -5.295 8.097 5.476 1.00 0.00 C ATOM 885 CD2 LEU A 58 -5.872 10.436 6.147 1.00 0.00 C ATOM 0 H LEU A 58 -6.669 6.896 4.174 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.641 7.336 6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.356 9.191 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.323 9.718 5.511 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.632 8.655 7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.408 8.153 6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.658 7.070 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.042 8.417 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.977 10.460 6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.634 10.813 5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.643 11.061 6.597 1.00 0.00 H new ATOM 897 N GLU A 59 -10.573 8.582 4.821 1.00 0.00 N ATOM 898 CA GLU A 59 -11.843 8.796 4.138 1.00 0.00 C ATOM 899 C GLU A 59 -11.804 10.073 3.302 1.00 0.00 C ATOM 900 O GLU A 59 -12.263 10.094 2.160 1.00 0.00 O ATOM 901 CB GLU A 59 -12.987 8.872 5.152 1.00 0.00 C ATOM 902 CG GLU A 59 -14.359 8.999 4.513 1.00 0.00 C ATOM 903 CD GLU A 59 -15.477 8.556 5.438 1.00 0.00 C ATOM 904 OE1 GLU A 59 -15.868 9.351 6.318 1.00 0.00 O ATOM 905 OE2 GLU A 59 -15.959 7.415 5.282 1.00 0.00 O ATOM 0 H GLU A 59 -10.453 9.131 5.672 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.014 7.951 3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.968 7.979 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.822 9.725 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.524 10.036 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.388 8.401 3.602 1.00 0.00 H new ATOM 912 N ASP A 60 -11.254 11.134 3.881 1.00 0.00 N ATOM 913 CA ASP A 60 -11.154 12.415 3.191 1.00 0.00 C ATOM 914 C ASP A 60 -9.936 12.444 2.273 1.00 0.00 C ATOM 915 O ASP A 60 -9.253 13.462 2.163 1.00 0.00 O ATOM 916 CB ASP A 60 -11.072 13.559 4.203 1.00 0.00 C ATOM 917 CG ASP A 60 -11.013 14.919 3.537 1.00 0.00 C ATOM 918 OD1 ASP A 60 -12.080 15.431 3.137 1.00 0.00 O ATOM 919 OD2 ASP A 60 -9.901 15.472 3.415 1.00 0.00 O ATOM 0 H ASP A 60 -10.871 11.133 4.826 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.049 12.542 2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.938 13.519 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.189 13.425 4.827 1.00 0.00 H new ATOM 924 N SER A 61 -9.670 11.320 1.615 1.00 0.00 N ATOM 925 CA SER A 61 -8.532 11.215 0.710 1.00 0.00 C ATOM 926 C SER A 61 -8.970 10.689 -0.654 1.00 0.00 C ATOM 927 O SER A 61 -10.090 10.211 -0.834 1.00 0.00 O ATOM 928 CB SER A 61 -7.464 10.295 1.304 1.00 0.00 C ATOM 929 OG SER A 61 -7.333 9.107 0.544 1.00 0.00 O ATOM 0 H SER A 61 -10.227 10.469 1.692 1.00 0.00 H new ATOM 0 HA SER A 61 -8.111 12.212 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.508 10.817 1.336 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.726 10.045 2.332 1.00 0.00 H new ATOM 0 HG SER A 61 -6.403 9.006 0.252 1.00 0.00 H new ATOM 935 N PRO A 62 -8.065 10.780 -1.640 1.00 0.00 N ATOM 936 CA PRO A 62 -8.333 10.319 -3.006 1.00 0.00 C ATOM 937 C PRO A 62 -8.424 8.800 -3.097 1.00 0.00 C ATOM 938 O PRO A 62 -9.032 8.260 -4.021 1.00 0.00 O ATOM 939 CB PRO A 62 -7.126 10.831 -3.796 1.00 0.00 C ATOM 940 CG PRO A 62 -6.037 10.956 -2.787 1.00 0.00 C ATOM 941 CD PRO A 62 -6.710 11.340 -1.498 1.00 0.00 C ATOM 0 HA PRO A 62 -9.290 10.684 -3.379 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.851 10.138 -4.591 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.340 11.790 -4.268 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.495 10.017 -2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.311 11.711 -3.088 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.192 10.923 -0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.734 12.421 -1.364 1.00 0.00 H new ATOM 949 N ALA A 63 -7.818 8.116 -2.132 1.00 0.00 N ATOM 950 CA ALA A 63 -7.833 6.659 -2.103 1.00 0.00 C ATOM 951 C ALA A 63 -9.054 6.138 -1.351 1.00 0.00 C ATOM 952 O ALA A 63 -9.553 5.051 -1.637 1.00 0.00 O ATOM 953 CB ALA A 63 -6.555 6.130 -1.469 1.00 0.00 C ATOM 0 H ALA A 63 -7.310 8.548 -1.360 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.891 6.300 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.580 5.040 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.695 6.465 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.473 6.505 -0.449 1.00 0.00 H new ATOM 959 N GLY A 64 -9.528 6.921 -0.387 1.00 0.00 N ATOM 960 CA GLY A 64 -10.686 6.521 0.391 1.00 0.00 C ATOM 961 C GLY A 64 -11.976 6.609 -0.401 1.00 0.00 C ATOM 962 O GLY A 64 -12.928 5.875 -0.134 1.00 0.00 O ATOM 0 H GLY A 64 -9.131 7.825 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.548 5.498 0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.762 7.154 1.275 1.00 0.00 H new ATOM 966 N LYS A 65 -12.009 7.509 -1.377 1.00 0.00 N ATOM 967 CA LYS A 65 -13.191 7.692 -2.211 1.00 0.00 C ATOM 968 C LYS A 65 -13.302 6.579 -3.248 1.00 0.00 C ATOM 969 O LYS A 65 -14.393 6.075 -3.519 1.00 0.00 O ATOM 970 CB LYS A 65 -13.142 9.052 -2.910 1.00 0.00 C ATOM 971 CG LYS A 65 -13.105 10.229 -1.950 1.00 0.00 C ATOM 972 CD LYS A 65 -13.803 11.446 -2.532 1.00 0.00 C ATOM 973 CE LYS A 65 -13.453 12.710 -1.763 1.00 0.00 C ATOM 974 NZ LYS A 65 -14.165 13.902 -2.302 1.00 0.00 N ATOM 0 H LYS A 65 -11.230 8.124 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.069 7.654 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.262 9.090 -3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.013 9.150 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.583 9.949 -1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.069 10.478 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.519 11.564 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.882 11.293 -2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.709 12.578 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.377 12.878 -1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.900 14.743 -1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.901 14.043 -3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.192 13.753 -2.234 1.00 0.00 H new ATOM 988 N THR A 66 -12.167 6.198 -3.825 1.00 0.00 N ATOM 989 CA THR A 66 -12.137 5.144 -4.831 1.00 0.00 C ATOM 990 C THR A 66 -12.739 3.852 -4.293 1.00 0.00 C ATOM 991 O THR A 66 -13.152 2.982 -5.058 1.00 0.00 O ATOM 992 CB THR A 66 -10.700 4.866 -5.311 1.00 0.00 C ATOM 993 OG1 THR A 66 -9.998 4.092 -4.332 1.00 0.00 O ATOM 994 CG2 THR A 66 -9.954 6.167 -5.567 1.00 0.00 C ATOM 0 H THR A 66 -11.256 6.604 -3.613 1.00 0.00 H new ATOM 0 HA THR A 66 -12.732 5.495 -5.674 1.00 0.00 H new ATOM 0 HB THR A 66 -10.754 4.307 -6.245 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.954 4.592 -3.490 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.942 5.946 -5.905 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.475 6.740 -6.334 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.910 6.748 -4.646 1.00 0.00 H new ATOM 1002 N ASN A 67 -12.787 3.733 -2.970 1.00 0.00 N ATOM 1003 CA ASN A 67 -13.340 2.545 -2.328 1.00 0.00 C ATOM 1004 C ASN A 67 -12.909 1.280 -3.063 1.00 0.00 C ATOM 1005 O ASN A 67 -13.586 0.254 -3.003 1.00 0.00 O ATOM 1006 CB ASN A 67 -14.867 2.628 -2.284 1.00 0.00 C ATOM 1007 CG ASN A 67 -15.463 1.754 -1.198 1.00 0.00 C ATOM 1008 OD1 ASN A 67 -15.752 0.578 -1.421 1.00 0.00 O ATOM 1009 ND2 ASN A 67 -15.648 2.326 -0.014 1.00 0.00 N ATOM 0 H ASN A 67 -12.450 4.444 -2.321 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.956 2.501 -1.309 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -15.167 3.663 -2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -15.272 2.329 -3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -16.044 1.787 0.756 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -15.394 3.304 0.125 1.00 0.00 H new ATOM 1016 N ALA A 68 -11.779 1.361 -3.757 1.00 0.00 N ATOM 1017 CA ALA A 68 -11.256 0.222 -4.502 1.00 0.00 C ATOM 1018 C ALA A 68 -10.018 -0.355 -3.825 1.00 0.00 C ATOM 1019 O ALA A 68 -9.427 -1.322 -4.308 1.00 0.00 O ATOM 1020 CB ALA A 68 -10.936 0.629 -5.933 1.00 0.00 C ATOM 0 H ALA A 68 -11.208 2.204 -3.819 1.00 0.00 H new ATOM 0 HA ALA A 68 -12.023 -0.552 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.546 -0.231 -6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.843 0.987 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -10.189 1.423 -5.927 1.00 0.00 H new ATOM 1026 N LEU A 69 -9.629 0.243 -2.704 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.460 -0.211 -1.960 1.00 0.00 C ATOM 1028 C LEU A 69 -8.678 -0.062 -0.458 1.00 0.00 C ATOM 1029 O LEU A 69 -9.184 0.959 0.009 1.00 0.00 O ATOM 1030 CB LEU A 69 -7.221 0.577 -2.388 1.00 0.00 C ATOM 1031 CG LEU A 69 -6.979 0.682 -3.894 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -6.240 1.968 -4.228 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -6.202 -0.527 -4.395 1.00 0.00 C ATOM 0 H LEU A 69 -10.107 1.044 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.306 -1.267 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.298 1.585 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.346 0.115 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.946 0.702 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.077 2.025 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.834 2.823 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.279 1.979 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.039 -0.435 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.240 -0.578 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.770 -1.435 -4.191 1.00 0.00 H new ATOM 1045 N LYS A 70 -8.291 -1.085 0.296 1.00 0.00 N ATOM 1046 CA LYS A 70 -8.440 -1.067 1.747 1.00 0.00 C ATOM 1047 C LYS A 70 -7.324 -1.861 2.418 1.00 0.00 C ATOM 1048 O LYS A 70 -6.725 -2.748 1.809 1.00 0.00 O ATOM 1049 CB LYS A 70 -9.801 -1.641 2.147 1.00 0.00 C ATOM 1050 CG LYS A 70 -10.920 -1.280 1.185 1.00 0.00 C ATOM 1051 CD LYS A 70 -11.440 0.125 1.438 1.00 0.00 C ATOM 1052 CE LYS A 70 -12.158 0.681 0.218 1.00 0.00 C ATOM 1053 NZ LYS A 70 -13.320 -0.164 -0.175 1.00 0.00 N ATOM 0 H LYS A 70 -7.871 -1.938 -0.074 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.377 -0.032 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.724 -2.726 2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.059 -1.281 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.558 -1.356 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.736 -1.995 1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.121 0.114 2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.609 0.779 1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.500 1.694 0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.459 0.748 -0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.593 0.055 -1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.059 -1.168 -0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.121 0.030 0.459 1.00 0.00 H new ATOM 1067 N THR A 71 -7.050 -1.538 3.678 1.00 0.00 N ATOM 1068 CA THR A 71 -6.007 -2.220 4.433 1.00 0.00 C ATOM 1069 C THR A 71 -6.096 -3.731 4.252 1.00 0.00 C ATOM 1070 O THR A 71 -7.184 -4.305 4.274 1.00 0.00 O ATOM 1071 CB THR A 71 -6.091 -1.889 5.935 1.00 0.00 C ATOM 1072 OG1 THR A 71 -4.971 -2.454 6.625 1.00 0.00 O ATOM 1073 CG2 THR A 71 -7.384 -2.421 6.535 1.00 0.00 C ATOM 0 H THR A 71 -7.537 -0.807 4.197 1.00 0.00 H new ATOM 0 HA THR A 71 -5.053 -1.865 4.044 1.00 0.00 H new ATOM 0 HB THR A 71 -6.076 -0.805 6.047 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.726 -1.877 7.378 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.421 -2.175 7.596 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.235 -1.966 6.028 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.424 -3.503 6.412 1.00 0.00 H new ATOM 1081 N GLY A 72 -4.945 -4.371 4.073 1.00 0.00 N ATOM 1082 CA GLY A 72 -4.916 -5.811 3.891 1.00 0.00 C ATOM 1083 C GLY A 72 -4.585 -6.209 2.467 1.00 0.00 C ATOM 1084 O GLY A 72 -3.945 -7.234 2.234 1.00 0.00 O ATOM 0 H GLY A 72 -4.031 -3.918 4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.179 -6.245 4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.885 -6.228 4.166 1.00 0.00 H new ATOM 1088 N ASP A 73 -5.024 -5.397 1.511 1.00 0.00 N ATOM 1089 CA ASP A 73 -4.771 -5.671 0.101 1.00 0.00 C ATOM 1090 C ASP A 73 -3.275 -5.794 -0.169 1.00 0.00 C ATOM 1091 O ASP A 73 -2.460 -5.135 0.476 1.00 0.00 O ATOM 1092 CB ASP A 73 -5.369 -4.564 -0.770 1.00 0.00 C ATOM 1093 CG ASP A 73 -6.804 -4.852 -1.167 1.00 0.00 C ATOM 1094 OD1 ASP A 73 -7.624 -5.130 -0.267 1.00 0.00 O ATOM 1095 OD2 ASP A 73 -7.107 -4.800 -2.377 1.00 0.00 O ATOM 0 H ASP A 73 -5.556 -4.545 1.687 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.247 -6.619 -0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.327 -3.618 -0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.763 -4.445 -1.668 1.00 0.00 H new ATOM 1100 N LYS A 74 -2.920 -6.645 -1.126 1.00 0.00 N ATOM 1101 CA LYS A 74 -1.522 -6.857 -1.483 1.00 0.00 C ATOM 1102 C LYS A 74 -1.127 -5.989 -2.674 1.00 0.00 C ATOM 1103 O LYS A 74 -1.628 -6.175 -3.783 1.00 0.00 O ATOM 1104 CB LYS A 74 -1.275 -8.331 -1.809 1.00 0.00 C ATOM 1105 CG LYS A 74 0.190 -8.671 -2.020 1.00 0.00 C ATOM 1106 CD LYS A 74 0.375 -10.126 -2.415 1.00 0.00 C ATOM 1107 CE LYS A 74 1.732 -10.361 -3.059 1.00 0.00 C ATOM 1108 NZ LYS A 74 2.848 -10.128 -2.101 1.00 0.00 N ATOM 0 H LYS A 74 -3.582 -7.200 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.908 -6.573 -0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.668 -8.944 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.833 -8.594 -2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.606 -8.027 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.747 -8.468 -1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.275 -10.759 -1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.413 -10.419 -3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.784 -11.383 -3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.846 -9.699 -3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.756 -10.298 -2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.814 -9.146 -1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.754 -10.777 -1.294 1.00 0.00 H new ATOM 1122 N ILE A 75 -0.225 -5.042 -2.436 1.00 0.00 N ATOM 1123 CA ILE A 75 0.238 -4.148 -3.490 1.00 0.00 C ATOM 1124 C ILE A 75 1.368 -4.784 -4.293 1.00 0.00 C ATOM 1125 O ILE A 75 2.422 -5.113 -3.749 1.00 0.00 O ATOM 1126 CB ILE A 75 0.725 -2.805 -2.915 1.00 0.00 C ATOM 1127 CG1 ILE A 75 -0.208 -2.335 -1.798 1.00 0.00 C ATOM 1128 CG2 ILE A 75 0.812 -1.758 -4.016 1.00 0.00 C ATOM 1129 CD1 ILE A 75 0.358 -1.199 -0.975 1.00 0.00 C ATOM 0 H ILE A 75 0.199 -4.874 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.613 -3.966 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 75 1.721 -2.946 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.155 -2.019 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.426 -3.176 -1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.158 -0.814 -3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.513 -2.092 -4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.172 -1.617 -4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.357 -0.918 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.290 -1.517 -0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.550 -0.342 -1.621 1.00 0.00 H new ATOM 1141 N LEU A 76 1.141 -4.953 -5.591 1.00 0.00 N ATOM 1142 CA LEU A 76 2.140 -5.548 -6.472 1.00 0.00 C ATOM 1143 C LEU A 76 2.865 -4.475 -7.277 1.00 0.00 C ATOM 1144 O LEU A 76 4.011 -4.659 -7.684 1.00 0.00 O ATOM 1145 CB LEU A 76 1.482 -6.554 -7.418 1.00 0.00 C ATOM 1146 CG LEU A 76 0.244 -7.272 -6.878 1.00 0.00 C ATOM 1147 CD1 LEU A 76 -0.690 -7.654 -8.015 1.00 0.00 C ATOM 1148 CD2 LEU A 76 0.649 -8.504 -6.081 1.00 0.00 C ATOM 0 H LEU A 76 0.274 -4.686 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 76 2.871 -6.067 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.205 -6.033 -8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.223 -7.305 -7.690 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.287 -6.591 -6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.565 -8.164 -7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.006 -6.755 -8.544 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.170 -8.318 -8.706 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.244 -9.003 -5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.203 -9.188 -6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.278 -8.205 -5.243 1.00 0.00 H new ATOM 1160 N GLU A 77 2.189 -3.352 -7.501 1.00 0.00 N ATOM 1161 CA GLU A 77 2.770 -2.248 -8.256 1.00 0.00 C ATOM 1162 C GLU A 77 1.963 -0.969 -8.058 1.00 0.00 C ATOM 1163 O GLU A 77 0.756 -1.014 -7.816 1.00 0.00 O ATOM 1164 CB GLU A 77 2.835 -2.598 -9.744 1.00 0.00 C ATOM 1165 CG GLU A 77 4.005 -1.956 -10.470 1.00 0.00 C ATOM 1166 CD GLU A 77 3.843 -1.983 -11.977 1.00 0.00 C ATOM 1167 OE1 GLU A 77 2.762 -2.394 -12.449 1.00 0.00 O ATOM 1168 OE2 GLU A 77 4.795 -1.593 -12.684 1.00 0.00 O ATOM 0 H GLU A 77 1.239 -3.183 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 77 3.781 -2.080 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.902 -3.681 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.906 -2.287 -10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.111 -0.923 -10.138 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.925 -2.474 -10.198 1.00 0.00 H new ATOM 1175 N VAL A 78 2.637 0.172 -8.161 1.00 0.00 N ATOM 1176 CA VAL A 78 1.984 1.465 -7.994 1.00 0.00 C ATOM 1177 C VAL A 78 2.574 2.505 -8.939 1.00 0.00 C ATOM 1178 O VAL A 78 3.785 2.725 -8.958 1.00 0.00 O ATOM 1179 CB VAL A 78 2.109 1.973 -6.546 1.00 0.00 C ATOM 1180 CG1 VAL A 78 3.255 2.965 -6.425 1.00 0.00 C ATOM 1181 CG2 VAL A 78 0.800 2.600 -6.087 1.00 0.00 C ATOM 0 H VAL A 78 3.636 0.227 -8.360 1.00 0.00 H new ATOM 0 HA VAL A 78 0.930 1.320 -8.231 1.00 0.00 H new ATOM 0 HB VAL A 78 2.326 1.123 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.328 3.313 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.188 2.480 -6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.072 3.815 -7.083 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.906 2.954 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.551 3.439 -6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.004 1.857 -6.134 1.00 0.00 H new ATOM 1191 N SER A 79 1.711 3.142 -9.723 1.00 0.00 N ATOM 1192 CA SER A 79 2.147 4.158 -10.674 1.00 0.00 C ATOM 1193 C SER A 79 3.135 3.573 -11.678 1.00 0.00 C ATOM 1194 O SER A 79 3.868 4.305 -12.343 1.00 0.00 O ATOM 1195 CB SER A 79 2.788 5.335 -9.937 1.00 0.00 C ATOM 1196 OG SER A 79 2.614 6.544 -10.657 1.00 0.00 O ATOM 0 H SER A 79 0.705 2.973 -9.719 1.00 0.00 H new ATOM 0 HA SER A 79 1.271 4.513 -11.217 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.346 5.432 -8.946 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.851 5.143 -9.794 1.00 0.00 H new ATOM 0 HG SER A 79 2.937 6.428 -11.575 1.00 0.00 H new ATOM 1202 N GLY A 80 3.150 2.248 -11.782 1.00 0.00 N ATOM 1203 CA GLY A 80 4.051 1.586 -12.707 1.00 0.00 C ATOM 1204 C GLY A 80 5.387 1.249 -12.073 1.00 0.00 C ATOM 1205 O GLY A 80 6.422 1.273 -12.739 1.00 0.00 O ATOM 0 H GLY A 80 2.554 1.621 -11.242 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.584 0.671 -13.072 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.214 2.228 -13.573 1.00 0.00 H new ATOM 1209 N VAL A 81 5.365 0.935 -10.781 1.00 0.00 N ATOM 1210 CA VAL A 81 6.583 0.593 -10.057 1.00 0.00 C ATOM 1211 C VAL A 81 6.414 -0.709 -9.282 1.00 0.00 C ATOM 1212 O VAL A 81 5.509 -0.840 -8.458 1.00 0.00 O ATOM 1213 CB VAL A 81 6.988 1.711 -9.079 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.228 1.575 -7.768 1.00 0.00 C ATOM 1215 CG2 VAL A 81 8.490 1.691 -8.838 1.00 0.00 C ATOM 0 H VAL A 81 4.517 0.911 -10.215 1.00 0.00 H new ATOM 0 HA VAL A 81 7.370 0.470 -10.802 1.00 0.00 H new ATOM 0 HB VAL A 81 6.728 2.671 -9.525 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.527 2.374 -7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.157 1.644 -7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.454 0.610 -7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.758 2.488 -8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.778 0.729 -8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.012 1.842 -9.783 1.00 0.00 H new ATOM 1225 N ASP A 82 7.291 -1.670 -9.552 1.00 0.00 N ATOM 1226 CA ASP A 82 7.240 -2.963 -8.879 1.00 0.00 C ATOM 1227 C ASP A 82 7.556 -2.815 -7.394 1.00 0.00 C ATOM 1228 O ASP A 82 8.691 -2.522 -7.016 1.00 0.00 O ATOM 1229 CB ASP A 82 8.223 -3.938 -9.527 1.00 0.00 C ATOM 1230 CG ASP A 82 8.253 -5.282 -8.826 1.00 0.00 C ATOM 1231 OD1 ASP A 82 7.193 -5.937 -8.754 1.00 0.00 O ATOM 1232 OD2 ASP A 82 9.337 -5.677 -8.347 1.00 0.00 O ATOM 0 H ASP A 82 8.046 -1.578 -10.232 1.00 0.00 H new ATOM 0 HA ASP A 82 6.229 -3.358 -8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.951 -4.083 -10.572 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.222 -3.503 -9.515 1.00 0.00 H new ATOM 1237 N LEU A 83 6.545 -3.017 -6.556 1.00 0.00 N ATOM 1238 CA LEU A 83 6.714 -2.905 -5.111 1.00 0.00 C ATOM 1239 C LEU A 83 6.560 -4.265 -4.438 1.00 0.00 C ATOM 1240 O LEU A 83 6.723 -4.389 -3.225 1.00 0.00 O ATOM 1241 CB LEU A 83 5.697 -1.919 -4.534 1.00 0.00 C ATOM 1242 CG LEU A 83 5.838 -0.466 -4.988 1.00 0.00 C ATOM 1243 CD1 LEU A 83 4.919 0.437 -4.181 1.00 0.00 C ATOM 1244 CD2 LEU A 83 7.284 -0.007 -4.865 1.00 0.00 C ATOM 0 H LEU A 83 5.599 -3.259 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 83 7.720 -2.535 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.697 -2.265 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.770 -1.948 -3.447 1.00 0.00 H new ATOM 0 HG LEU A 83 5.546 -0.403 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.033 1.467 -4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.885 0.122 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.179 0.370 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.366 1.029 -5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.604 -0.086 -3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.920 -0.636 -5.489 1.00 0.00 H new ATOM 1256 N GLN A 84 6.247 -5.282 -5.235 1.00 0.00 N ATOM 1257 CA GLN A 84 6.073 -6.633 -4.715 1.00 0.00 C ATOM 1258 C GLN A 84 7.153 -6.967 -3.691 1.00 0.00 C ATOM 1259 O GLN A 84 6.878 -7.073 -2.497 1.00 0.00 O ATOM 1260 CB GLN A 84 6.106 -7.650 -5.858 1.00 0.00 C ATOM 1261 CG GLN A 84 4.787 -7.769 -6.604 1.00 0.00 C ATOM 1262 CD GLN A 84 4.862 -8.733 -7.772 1.00 0.00 C ATOM 1263 OE1 GLN A 84 5.216 -9.901 -7.607 1.00 0.00 O ATOM 1264 NE2 GLN A 84 4.529 -8.248 -8.963 1.00 0.00 N ATOM 0 H GLN A 84 6.109 -5.196 -6.242 1.00 0.00 H new ATOM 0 HA GLN A 84 5.103 -6.682 -4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.888 -7.367 -6.562 1.00 0.00 H new ATOM 0 HB3 GLN A 84 6.376 -8.627 -5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.012 -8.101 -5.913 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.490 -6.786 -6.968 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.241 -7.274 -9.055 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.561 -8.850 -9.786 1.00 0.00 H new ATOM 1273 N ASN A 85 8.383 -7.130 -4.168 1.00 0.00 N ATOM 1274 CA ASN A 85 9.505 -7.452 -3.293 1.00 0.00 C ATOM 1275 C ASN A 85 10.191 -6.183 -2.799 1.00 0.00 C ATOM 1276 O ASN A 85 11.409 -6.151 -2.625 1.00 0.00 O ATOM 1277 CB ASN A 85 10.513 -8.338 -4.028 1.00 0.00 C ATOM 1278 CG ASN A 85 9.842 -9.438 -4.828 1.00 0.00 C ATOM 1279 OD1 ASN A 85 8.944 -10.120 -4.334 1.00 0.00 O ATOM 1280 ND2 ASN A 85 10.277 -9.615 -6.070 1.00 0.00 N ATOM 0 H ASN A 85 8.628 -7.045 -5.154 1.00 0.00 H new ATOM 0 HA ASN A 85 9.117 -7.993 -2.430 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.114 -7.722 -4.696 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.196 -8.784 -3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.864 -10.340 -6.656 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.024 -9.026 -6.438 1.00 0.00 H new ATOM 1287 N ALA A 86 9.400 -5.139 -2.574 1.00 0.00 N ATOM 1288 CA ALA A 86 9.931 -3.868 -2.097 1.00 0.00 C ATOM 1289 C ALA A 86 9.676 -3.692 -0.603 1.00 0.00 C ATOM 1290 O ALA A 86 8.618 -4.064 -0.096 1.00 0.00 O ATOM 1291 CB ALA A 86 9.319 -2.714 -2.877 1.00 0.00 C ATOM 0 H ALA A 86 8.390 -5.148 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 86 11.009 -3.870 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.725 -1.771 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.556 -2.824 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.237 -2.719 -2.745 1.00 0.00 H new ATOM 1297 N SER A 87 10.653 -3.123 0.096 1.00 0.00 N ATOM 1298 CA SER A 87 10.536 -2.903 1.533 1.00 0.00 C ATOM 1299 C SER A 87 9.547 -1.780 1.831 1.00 0.00 C ATOM 1300 O SER A 87 9.034 -1.130 0.920 1.00 0.00 O ATOM 1301 CB SER A 87 11.903 -2.566 2.131 1.00 0.00 C ATOM 1302 OG SER A 87 12.424 -1.372 1.573 1.00 0.00 O ATOM 0 H SER A 87 11.534 -2.806 -0.309 1.00 0.00 H new ATOM 0 HA SER A 87 10.165 -3.821 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.814 -2.457 3.212 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.595 -3.388 1.950 1.00 0.00 H new ATOM 0 HG SER A 87 13.297 -1.178 1.973 1.00 0.00 H new ATOM 1308 N HIS A 88 9.284 -1.558 3.115 1.00 0.00 N ATOM 1309 CA HIS A 88 8.357 -0.514 3.536 1.00 0.00 C ATOM 1310 C HIS A 88 8.719 0.824 2.898 1.00 0.00 C ATOM 1311 O HIS A 88 7.846 1.562 2.442 1.00 0.00 O ATOM 1312 CB HIS A 88 8.360 -0.383 5.059 1.00 0.00 C ATOM 1313 CG HIS A 88 7.030 0.004 5.630 1.00 0.00 C ATOM 1314 ND1 HIS A 88 6.890 0.886 6.681 1.00 0.00 N ATOM 1315 CD2 HIS A 88 5.776 -0.375 5.289 1.00 0.00 C ATOM 1316 CE1 HIS A 88 5.608 1.031 6.963 1.00 0.00 C ATOM 1317 NE2 HIS A 88 4.911 0.276 6.133 1.00 0.00 N ATOM 0 H HIS A 88 9.700 -2.087 3.882 1.00 0.00 H new ATOM 0 HA HIS A 88 7.357 -0.796 3.205 1.00 0.00 H new ATOM 0 HB2 HIS A 88 8.672 -1.332 5.496 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.101 0.361 5.350 1.00 0.00 H new ATOM 0 HD2 HIS A 88 5.506 -1.062 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.199 1.660 7.740 1.00 0.00 H new ATOM 0 HE2 HIS A 88 3.895 0.191 6.121 1.00 0.00 H new ATOM 1325 N SER A 89 10.012 1.129 2.869 1.00 0.00 N ATOM 1326 CA SER A 89 10.490 2.380 2.291 1.00 0.00 C ATOM 1327 C SER A 89 10.413 2.338 0.768 1.00 0.00 C ATOM 1328 O SER A 89 9.900 3.261 0.136 1.00 0.00 O ATOM 1329 CB SER A 89 11.928 2.655 2.734 1.00 0.00 C ATOM 1330 OG SER A 89 11.983 2.990 4.109 1.00 0.00 O ATOM 0 H SER A 89 10.748 0.527 3.239 1.00 0.00 H new ATOM 0 HA SER A 89 9.848 3.186 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 89 12.544 1.776 2.546 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.345 3.469 2.141 1.00 0.00 H new ATOM 0 HG SER A 89 12.913 3.159 4.367 1.00 0.00 H new ATOM 1336 N GLU A 90 10.929 1.260 0.185 1.00 0.00 N ATOM 1337 CA GLU A 90 10.920 1.098 -1.264 1.00 0.00 C ATOM 1338 C GLU A 90 9.519 1.319 -1.828 1.00 0.00 C ATOM 1339 O GLU A 90 9.359 1.812 -2.944 1.00 0.00 O ATOM 1340 CB GLU A 90 11.422 -0.296 -1.647 1.00 0.00 C ATOM 1341 CG GLU A 90 12.907 -0.497 -1.400 1.00 0.00 C ATOM 1342 CD GLU A 90 13.756 -0.105 -2.593 1.00 0.00 C ATOM 1343 OE1 GLU A 90 14.141 1.080 -2.683 1.00 0.00 O ATOM 1344 OE2 GLU A 90 14.035 -0.981 -3.437 1.00 0.00 O ATOM 0 H GLU A 90 11.358 0.487 0.694 1.00 0.00 H new ATOM 0 HA GLU A 90 11.587 1.847 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.864 -1.042 -1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.211 -0.472 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 90 13.210 0.092 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 90 13.092 -1.543 -1.155 1.00 0.00 H new ATOM 1351 N ALA A 91 8.509 0.951 -1.048 1.00 0.00 N ATOM 1352 CA ALA A 91 7.122 1.109 -1.467 1.00 0.00 C ATOM 1353 C ALA A 91 6.574 2.469 -1.048 1.00 0.00 C ATOM 1354 O ALA A 91 5.809 3.094 -1.783 1.00 0.00 O ATOM 1355 CB ALA A 91 6.265 -0.008 -0.891 1.00 0.00 C ATOM 0 H ALA A 91 8.625 0.541 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 91 7.089 1.052 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.232 0.123 -1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.636 -0.970 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.313 0.021 0.198 1.00 0.00 H new ATOM 1361 N VAL A 92 6.970 2.922 0.137 1.00 0.00 N ATOM 1362 CA VAL A 92 6.519 4.209 0.654 1.00 0.00 C ATOM 1363 C VAL A 92 6.895 5.343 -0.292 1.00 0.00 C ATOM 1364 O VAL A 92 6.092 6.239 -0.553 1.00 0.00 O ATOM 1365 CB VAL A 92 7.115 4.495 2.045 1.00 0.00 C ATOM 1366 CG1 VAL A 92 7.209 5.994 2.287 1.00 0.00 C ATOM 1367 CG2 VAL A 92 6.285 3.823 3.128 1.00 0.00 C ATOM 0 H VAL A 92 7.603 2.417 0.758 1.00 0.00 H new ATOM 0 HA VAL A 92 5.434 4.154 0.737 1.00 0.00 H new ATOM 0 HB VAL A 92 8.123 4.081 2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 92 7.632 6.177 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.849 6.446 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.214 6.435 2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.720 4.035 4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.265 4.205 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.274 2.746 2.962 1.00 0.00 H new ATOM 1377 N GLU A 93 8.121 5.298 -0.804 1.00 0.00 N ATOM 1378 CA GLU A 93 8.604 6.324 -1.721 1.00 0.00 C ATOM 1379 C GLU A 93 7.852 6.265 -3.048 1.00 0.00 C ATOM 1380 O GLU A 93 7.606 7.291 -3.680 1.00 0.00 O ATOM 1381 CB GLU A 93 10.105 6.155 -1.966 1.00 0.00 C ATOM 1382 CG GLU A 93 10.929 6.112 -0.690 1.00 0.00 C ATOM 1383 CD GLU A 93 12.318 6.691 -0.872 1.00 0.00 C ATOM 1384 OE1 GLU A 93 12.474 7.920 -0.718 1.00 0.00 O ATOM 1385 OE2 GLU A 93 13.250 5.914 -1.168 1.00 0.00 O ATOM 0 H GLU A 93 8.798 4.563 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 93 8.425 7.297 -1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.272 5.236 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.458 6.977 -2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.409 6.665 0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.012 5.080 -0.350 1.00 0.00 H new ATOM 1392 N ALA A 94 7.489 5.055 -3.462 1.00 0.00 N ATOM 1393 CA ALA A 94 6.764 4.862 -4.712 1.00 0.00 C ATOM 1394 C ALA A 94 5.395 5.531 -4.661 1.00 0.00 C ATOM 1395 O ALA A 94 5.000 6.229 -5.595 1.00 0.00 O ATOM 1396 CB ALA A 94 6.618 3.377 -5.012 1.00 0.00 C ATOM 0 H ALA A 94 7.685 4.195 -2.950 1.00 0.00 H new ATOM 0 HA ALA A 94 7.337 5.329 -5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.075 3.247 -5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.606 2.925 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.069 2.895 -4.203 1.00 0.00 H new ATOM 1402 N ILE A 95 4.675 5.312 -3.566 1.00 0.00 N ATOM 1403 CA ILE A 95 3.350 5.894 -3.394 1.00 0.00 C ATOM 1404 C ILE A 95 3.434 7.403 -3.191 1.00 0.00 C ATOM 1405 O ILE A 95 2.572 8.152 -3.651 1.00 0.00 O ATOM 1406 CB ILE A 95 2.610 5.268 -2.198 1.00 0.00 C ATOM 1407 CG1 ILE A 95 2.182 3.836 -2.528 1.00 0.00 C ATOM 1408 CG2 ILE A 95 1.403 6.113 -1.819 1.00 0.00 C ATOM 1409 CD1 ILE A 95 3.215 2.796 -2.158 1.00 0.00 C ATOM 0 H ILE A 95 4.987 4.736 -2.785 1.00 0.00 H new ATOM 0 HA ILE A 95 2.793 5.682 -4.307 1.00 0.00 H new ATOM 0 HB ILE A 95 3.289 5.238 -1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.252 3.614 -2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.973 3.765 -3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.891 5.657 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.732 7.116 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.720 6.173 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.844 1.805 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.140 2.993 -2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.407 2.839 -1.086 1.00 0.00 H new ATOM 1421 N LYS A 96 4.481 7.844 -2.501 1.00 0.00 N ATOM 1422 CA LYS A 96 4.682 9.264 -2.239 1.00 0.00 C ATOM 1423 C LYS A 96 5.300 9.958 -3.448 1.00 0.00 C ATOM 1424 O LYS A 96 5.127 11.161 -3.641 1.00 0.00 O ATOM 1425 CB LYS A 96 5.579 9.456 -1.014 1.00 0.00 C ATOM 1426 CG LYS A 96 7.058 9.535 -1.349 1.00 0.00 C ATOM 1427 CD LYS A 96 7.921 9.354 -0.112 1.00 0.00 C ATOM 1428 CE LYS A 96 8.042 10.649 0.678 1.00 0.00 C ATOM 1429 NZ LYS A 96 8.795 10.456 1.947 1.00 0.00 N ATOM 0 H LYS A 96 5.204 7.238 -2.113 1.00 0.00 H new ATOM 0 HA LYS A 96 3.708 9.713 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.283 10.369 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.416 8.630 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.307 8.768 -2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.277 10.499 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.492 8.578 0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.913 9.012 -0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.544 11.401 0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.046 11.033 0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.856 11.361 2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.303 9.758 2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.754 10.114 1.733 1.00 0.00 H new ATOM 1443 N ASN A 97 6.021 9.192 -4.261 1.00 0.00 N ATOM 1444 CA ASN A 97 6.664 9.734 -5.452 1.00 0.00 C ATOM 1445 C ASN A 97 5.940 9.279 -6.716 1.00 0.00 C ATOM 1446 O ASN A 97 6.440 9.453 -7.827 1.00 0.00 O ATOM 1447 CB ASN A 97 8.131 9.301 -5.507 1.00 0.00 C ATOM 1448 CG ASN A 97 8.904 9.723 -4.273 1.00 0.00 C ATOM 1449 OD1 ASN A 97 9.570 8.766 -3.636 1.00 0.00 O flip ATOM 1450 ND2 ASN A 97 8.904 10.895 -3.897 1.00 0.00 N flip ATOM 0 H ASN A 97 6.174 8.194 -4.116 1.00 0.00 H new ATOM 0 HA ASN A 97 6.615 10.822 -5.398 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.184 8.217 -5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 97 8.601 9.731 -6.392 1.00 0.00 H new ATOM 0 HD21 ASN A 97 8.378 11.597 -4.417 1.00 0.00 H new ATOM 0 HD22 ASN A 97 9.430 11.164 -3.065 1.00 0.00 H new ATOM 1457 N ALA A 98 4.760 8.695 -6.537 1.00 0.00 N ATOM 1458 CA ALA A 98 3.966 8.217 -7.662 1.00 0.00 C ATOM 1459 C ALA A 98 3.562 9.369 -8.577 1.00 0.00 C ATOM 1460 O ALA A 98 2.792 10.245 -8.185 1.00 0.00 O ATOM 1461 CB ALA A 98 2.732 7.480 -7.163 1.00 0.00 C ATOM 0 H ALA A 98 4.333 8.541 -5.624 1.00 0.00 H new ATOM 0 HA ALA A 98 4.579 7.526 -8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.149 7.129 -8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.038 6.628 -6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.124 8.155 -6.560 1.00 0.00 H new ATOM 1467 N GLY A 99 4.087 9.360 -9.799 1.00 0.00 N ATOM 1468 CA GLY A 99 3.769 10.410 -10.750 1.00 0.00 C ATOM 1469 C GLY A 99 2.280 10.531 -11.004 1.00 0.00 C ATOM 1470 O GLY A 99 1.725 9.813 -11.834 1.00 0.00 O ATOM 0 H GLY A 99 4.726 8.645 -10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.149 11.361 -10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 99 4.280 10.210 -11.692 1.00 0.00 H new ATOM 1474 N ASN A 100 1.631 11.441 -10.285 1.00 0.00 N ATOM 1475 CA ASN A 100 0.196 11.652 -10.435 1.00 0.00 C ATOM 1476 C ASN A 100 -0.229 11.489 -11.891 1.00 0.00 C ATOM 1477 O ASN A 100 0.393 12.024 -12.809 1.00 0.00 O ATOM 1478 CB ASN A 100 -0.192 13.045 -9.932 1.00 0.00 C ATOM 1479 CG ASN A 100 -1.259 13.694 -10.792 1.00 0.00 C ATOM 1480 OD1 ASN A 100 -1.069 13.893 -11.992 1.00 0.00 O ATOM 1481 ND2 ASN A 100 -2.390 14.026 -10.181 1.00 0.00 N ATOM 0 H ASN A 100 2.076 12.044 -9.593 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.320 10.900 -9.838 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -0.552 12.970 -8.906 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.693 13.681 -9.914 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -3.145 14.465 -10.708 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.504 13.842 -9.184 1.00 0.00 H new ATOM 1488 N PRO A 101 -1.315 10.732 -12.110 1.00 0.00 N ATOM 1489 CA PRO A 101 -2.063 10.090 -11.025 1.00 0.00 C ATOM 1490 C PRO A 101 -1.281 8.953 -10.375 1.00 0.00 C ATOM 1491 O PRO A 101 -0.190 8.601 -10.823 1.00 0.00 O ATOM 1492 CB PRO A 101 -3.310 9.547 -11.728 1.00 0.00 C ATOM 1493 CG PRO A 101 -2.894 9.359 -13.146 1.00 0.00 C ATOM 1494 CD PRO A 101 -1.895 10.445 -13.432 1.00 0.00 C ATOM 0 HA PRO A 101 -2.282 10.785 -10.214 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -3.637 8.607 -11.284 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.144 10.244 -11.649 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.453 8.374 -13.296 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.750 9.430 -13.817 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.135 10.116 -14.141 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.371 11.326 -13.862 1.00 0.00 H new ATOM 1502 N VAL A 102 -1.847 8.382 -9.317 1.00 0.00 N ATOM 1503 CA VAL A 102 -1.203 7.284 -8.606 1.00 0.00 C ATOM 1504 C VAL A 102 -1.972 5.981 -8.796 1.00 0.00 C ATOM 1505 O VAL A 102 -2.929 5.701 -8.073 1.00 0.00 O ATOM 1506 CB VAL A 102 -1.085 7.582 -7.099 1.00 0.00 C ATOM 1507 CG1 VAL A 102 -0.138 6.598 -6.432 1.00 0.00 C ATOM 1508 CG2 VAL A 102 -0.624 9.015 -6.875 1.00 0.00 C ATOM 0 H VAL A 102 -2.750 8.661 -8.933 1.00 0.00 H new ATOM 0 HA VAL A 102 -0.203 7.178 -9.027 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.069 7.465 -6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.068 6.825 -5.368 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.516 5.584 -6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.850 6.679 -6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.546 9.209 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.350 9.161 -7.342 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.345 9.703 -7.317 1.00 0.00 H new ATOM 1518 N VAL A 103 -1.546 5.186 -9.772 1.00 0.00 N ATOM 1519 CA VAL A 103 -2.193 3.911 -10.057 1.00 0.00 C ATOM 1520 C VAL A 103 -1.804 2.855 -9.028 1.00 0.00 C ATOM 1521 O VAL A 103 -0.664 2.815 -8.564 1.00 0.00 O ATOM 1522 CB VAL A 103 -1.829 3.399 -11.464 1.00 0.00 C ATOM 1523 CG1 VAL A 103 -2.850 2.376 -11.940 1.00 0.00 C ATOM 1524 CG2 VAL A 103 -1.727 4.558 -12.442 1.00 0.00 C ATOM 0 H VAL A 103 -0.755 5.402 -10.379 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.268 4.084 -10.008 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.856 2.910 -11.414 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.577 2.025 -12.935 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.868 1.532 -11.250 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.837 2.837 -11.976 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.469 4.178 -13.431 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.684 5.078 -12.491 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.955 5.250 -12.107 1.00 0.00 H new ATOM 1534 N PHE A 104 -2.759 2.001 -8.675 1.00 0.00 N ATOM 1535 CA PHE A 104 -2.517 0.945 -7.699 1.00 0.00 C ATOM 1536 C PHE A 104 -2.869 -0.422 -8.279 1.00 0.00 C ATOM 1537 O PHE A 104 -3.960 -0.617 -8.817 1.00 0.00 O ATOM 1538 CB PHE A 104 -3.332 1.198 -6.429 1.00 0.00 C ATOM 1539 CG PHE A 104 -2.569 1.934 -5.365 1.00 0.00 C ATOM 1540 CD1 PHE A 104 -2.541 3.319 -5.346 1.00 0.00 C ATOM 1541 CD2 PHE A 104 -1.880 1.241 -4.383 1.00 0.00 C ATOM 1542 CE1 PHE A 104 -1.840 3.998 -4.368 1.00 0.00 C ATOM 1543 CE2 PHE A 104 -1.177 1.915 -3.402 1.00 0.00 C ATOM 1544 CZ PHE A 104 -1.158 3.296 -3.394 1.00 0.00 C ATOM 0 H PHE A 104 -3.707 2.020 -9.050 1.00 0.00 H new ATOM 0 HA PHE A 104 -1.456 0.952 -7.449 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.224 1.769 -6.687 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.670 0.243 -6.028 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.073 3.874 -6.104 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.892 0.161 -4.384 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -1.825 5.078 -4.365 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.643 1.362 -2.643 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.611 3.825 -2.628 1.00 0.00 H new ATOM 1554 N ILE A 105 -1.939 -1.364 -8.166 1.00 0.00 N ATOM 1555 CA ILE A 105 -2.151 -2.712 -8.679 1.00 0.00 C ATOM 1556 C ILE A 105 -2.103 -3.741 -7.554 1.00 0.00 C ATOM 1557 O ILE A 105 -1.043 -4.281 -7.237 1.00 0.00 O ATOM 1558 CB ILE A 105 -1.101 -3.082 -9.743 1.00 0.00 C ATOM 1559 CG1 ILE A 105 -0.974 -1.960 -10.776 1.00 0.00 C ATOM 1560 CG2 ILE A 105 -1.471 -4.393 -10.419 1.00 0.00 C ATOM 1561 CD1 ILE A 105 -0.500 -2.438 -12.131 1.00 0.00 C ATOM 0 H ILE A 105 -1.031 -1.219 -7.724 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.140 -2.723 -9.138 1.00 0.00 H new ATOM 0 HB ILE A 105 -0.136 -3.210 -9.252 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.941 -1.471 -10.890 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.279 -1.209 -10.401 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.719 -4.641 -11.168 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.516 -5.187 -9.673 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.444 -4.292 -10.900 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.433 -1.590 -12.813 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.482 -2.901 -12.030 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.207 -3.167 -12.527 1.00 0.00 H new ATOM 1573 N VAL A 106 -3.259 -4.009 -6.955 1.00 0.00 N ATOM 1574 CA VAL A 106 -3.350 -4.976 -5.868 1.00 0.00 C ATOM 1575 C VAL A 106 -4.402 -6.039 -6.164 1.00 0.00 C ATOM 1576 O VAL A 106 -5.021 -6.034 -7.228 1.00 0.00 O ATOM 1577 CB VAL A 106 -3.693 -4.289 -4.533 1.00 0.00 C ATOM 1578 CG1 VAL A 106 -2.819 -3.062 -4.324 1.00 0.00 C ATOM 1579 CG2 VAL A 106 -5.167 -3.917 -4.489 1.00 0.00 C ATOM 0 H VAL A 106 -4.145 -3.570 -7.204 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.372 -5.450 -5.784 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.494 -4.990 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.076 -2.590 -3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.771 -3.360 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.983 -2.355 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.392 -3.433 -3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.394 -3.234 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.773 -4.818 -4.589 1.00 0.00 H new ATOM 1589 N GLN A 107 -4.599 -6.950 -5.216 1.00 0.00 N ATOM 1590 CA GLN A 107 -5.577 -8.020 -5.376 1.00 0.00 C ATOM 1591 C GLN A 107 -6.340 -8.258 -4.078 1.00 0.00 C ATOM 1592 O GLN A 107 -5.798 -8.806 -3.119 1.00 0.00 O ATOM 1593 CB GLN A 107 -4.884 -9.310 -5.819 1.00 0.00 C ATOM 1594 CG GLN A 107 -3.649 -9.075 -6.674 1.00 0.00 C ATOM 1595 CD GLN A 107 -3.199 -10.324 -7.405 1.00 0.00 C ATOM 1596 OE1 GLN A 107 -4.133 -10.984 -8.080 1.00 0.00 O flip ATOM 1597 NE2 GLN A 107 -2.025 -10.693 -7.364 1.00 0.00 N flip ATOM 0 H GLN A 107 -4.095 -6.968 -4.330 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.289 -7.716 -6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.600 -9.882 -4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.593 -9.919 -6.379 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.859 -8.289 -7.400 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.837 -8.716 -6.042 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.340 -10.156 -6.833 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -1.738 -11.536 -7.861 1.00 0.00 H new ATOM 1606 N SER A 108 -7.603 -7.842 -4.055 1.00 0.00 N ATOM 1607 CA SER A 108 -8.440 -8.007 -2.873 1.00 0.00 C ATOM 1608 C SER A 108 -8.840 -9.468 -2.690 1.00 0.00 C ATOM 1609 O SER A 108 -9.269 -10.130 -3.636 1.00 0.00 O ATOM 1610 CB SER A 108 -9.691 -7.133 -2.982 1.00 0.00 C ATOM 1611 OG SER A 108 -10.739 -7.639 -2.173 1.00 0.00 O ATOM 0 H SER A 108 -8.068 -7.389 -4.841 1.00 0.00 H new ATOM 0 HA SER A 108 -7.863 -7.695 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.453 -6.113 -2.679 1.00 0.00 H new ATOM 0 HB3 SER A 108 -10.018 -7.089 -4.021 1.00 0.00 H new ATOM 0 HG SER A 108 -11.526 -7.062 -2.259 1.00 0.00 H new